3-(2-Fluorophenyl)benzaldehyde

Base Information

• Chemical Name: 3-(2-Fluorophenyl)benzaldehyde
• CAS No.: 676348-33-7
• Molecular Formula: C13H9FO
• Molecular Weight: 200.21
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID00382212
• Wikidata: Q82173526
• Mol file: 676348-33-7.mol

Synonyms:676348-33-7;2'-Fluorobiphenyl-3-carbaldehyde;3-(2-fluorophenyl)benzaldehyde;2'-Fluoro-[1,1'-biphenyl]-3-carbaldehyde;2'-Fluoro-biphenyl-3-carbaldehyde;[1,1'-Biphenyl]-3-carboxaldehyde,2'-fluoro-;SCHEMBL13483001;DTXSID00382212;JEZDTHCXEQVVLE-UHFFFAOYSA-N;MFCD03424637;AKOS002683430;AB92569;NCGC00373955-01;BB 0220602;CS-0258458;FT-0644832;EN300-70234;A835834;A1-00988;Z992241516

Chemical Property of 3-(2-Fluorophenyl)benzaldehyde

Chemical Property:

• Melting Point: 178-179 °C
• Boiling Point: 323.5 °C at 760 mmHg
• Flash Point: 215.6 °C
• PSA: 17.07000
• Density: 1.173 g/cm³
• LogP: 3.30520
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 200.063743068
• Heavy Atom Count: 15
• Complexity: 217

Purity/Quality:

98%min ^*data from raw suppliers

2''-Fluoro-biphenyl-3-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C2=CC=CC(=C2)C=O)F

Technology Process of 3-(2-Fluorophenyl)benzaldehyde

There total 4 articles about 3-(2-Fluorophenyl)benzaldehyde which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 88.0%

(E)-2-(2-fluorostyryl)oxirane → 2'-fluoro-(1,1'-biphenyl)-3-carbaldehyde (676348-33-7)

Guidance literature:

With toluene-4-sulfonic acid; triethylamine; In 1,3,5-trimethyl-benzene; at 200 ℃; for 1h; Microwave irradiation;

DOI:10.1039/c9cc09262e

Reference yield: 81.0%

m-bromobenzoic aldehyde (3132-99-8) + o-fluorophenylboronic acid (1993-03-9) → 2'-fluoro-(1,1'-biphenyl)-3-carbaldehyde (676348-33-7)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In N,N-dimethyl-formamide; for 6h; Reflux;

DOI:10.1002/cmdc.201300240

Reference yield:

o-fluorobromobenzene (1072-85-1) + 3-Formylphenylboronic acid (87199-16-4) → 2'-fluoro-(1,1'-biphenyl)-3-carbaldehyde (676348-33-7)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; In ethanol; water; toluene; at 80 ℃; for 12h; Inert atmosphere;

DOI:10.1016/j.ejmech.2017.07.001

upstream raw materials:

m-bromobenzoic aldehyde

o-fluorophenylboronic acid

o-fluorobromobenzene

3-Formylphenylboronic acid

Refernces

• 1、 Li,Liu, Chunxia,Yang, Jianyong,Zhou,Ye, Zhiwen,Feng,Yue, Na,Tong,Huang, Wenlong,Qian, Hai. "Design, synthesis and biological evaluation of novel FFA1/GPR40 agonists: New breakthrough in an old scaffold". . p. 608 - 622. Retrieved 2019/07/05.
• 2、 Kim, Jeeyeon,Kim, Youngjae,Tae, Jinsung,Yeom, Miyoung,Moon, Bongjin,Huang, Xi-Ping,Roth, Bryan L.,Lee, Kangho,Rhim, Hyewhon,Choo,Chong, Youhoon,Keum, Gyochang,Nam, Ghilsoo,Choo, Hyunah. "Aryl biphenyl-3-ylmethylpiperazines as 5-HT7 receptor antagonists". . p. 1855 - 1864. Retrieved 2014/01/06.